(6S)-6-[4-[1-(cyclopropylmethyl)imidazol-2-yl]piperidine-1-carbonyl]-2-methyl-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-3-one

C20H28N6O2 — CID 97273966

IUPAC(6S)-6-[4-[1-(cyclopropylmethyl)imidazol-2-yl]piperidine-1-carbonyl]-2-methyl-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-3-one
SMILESCn1nc2n(c1=O)C[C@@H](C(=O)N1CCC(c3nccn3CC3CC3)CC1)CC2
InChIInChI=1S/C20H28N6O2/c1-23-20(28)26-13-16(4-5-17(26)22-23)19(27)24-9-6-15(7-10-24)18-21-8-11-25(18)12-14-2-3-14/h8,11,14-16H,2-7,9-10,12-13H2,1H3/t16-/m0/s1
InChIKeyDJRVUPCFSCUSRX-INIZCTEOSA-N
MW384.48 g/mol
LogP1.16
Rot. Bonds4

About (6S)-6-[4-[1-(cyclopropylmethyl)imidazol-2-yl]piperidine-1-carbonyl]-2-methyl-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-3-one

(6S)-6-[4-[1-(cyclopropylmethyl)imidazol-2-yl]piperidine-1-carbonyl]-2-methyl-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-3-one (PubChem CID 97273966) has the molecular formula C20H28N6O2 and a molecular weight of 384.48 g/mol. Its IUPAC name is (6S)-6-[4-[1-(cyclopropylmethyl)imidazol-2-yl]piperidine-1-carbonyl]-2-methyl-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-3-one.

Molecular Properties

Compound Name(6S)-6-[4-[1-(cyclopropylmethyl)imidazol-2-yl]piperidine-1-carbonyl]-2-methyl-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-3-one
PubChem CID97273966
Molecular FormulaC20H28N6O2
Molecular Weight384.48 g/mol
Exact Mass384.23
IUPAC Name(6S)-6-[4-[1-(cyclopropylmethyl)imidazol-2-yl]piperidine-1-carbonyl]-2-methyl-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-3-one
SMILESCn1nc2n(c1=O)C[C@@H](C(=O)N1CCC(c3nccn3CC3CC3)CC1)CC2
InChIInChI=1S/C20H28N6O2/c1-23-20(28)26-13-16(4-5-17(26)22-23)19(27)24-9-6-15(7-10-24)18-21-8-11-25(18)12-14-2-3-14/h8,11,14-16H,2-7,9-10,12-13H2,1H3/t16-/m0/s1
InChIKeyDJRVUPCFSCUSRX-INIZCTEOSA-N
XLogP1.16
TPSA77.95 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500384.48
LogP ≤ 51.16
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

Analyze (6S)-6-[4-[1-(cyclopropylmethyl)imidazol-2-yl]piperidine-1-carbonyl]-2-methyl-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-3-one with MolForge

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Related Compounds

2-methyl-6-[4-(1-methylimidazol-2-yl)piperidine-1-carbonyl]-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-3-one
CID 72927882
[4-[1-(cyclopropylmethyl)imidazol-2-yl]piperidin-1-yl]-pyrazin-2-ylmethanone
CID 70728553
2-[4-[1-(cyclobutylmethyl)imidazol-2-yl]piperidin-1-yl]-1-pyrrolidin-1-ylpropan-1-one
CID 70765708
[4-[1-[3-(dimethylamino)propyl]imidazol-2-yl]piperidin-1-yl]-(1-methylpiperidin-3-yl)methanone
CID 72940770
(2R)-1-(azepan-1-yl)-2-[4-[1-(cyclobutylmethyl)imidazol-2-yl]piperidin-1-yl]propan-1-one
CID 97132360
1-[4-[1-(cyclopropylmethyl)imidazol-2-yl]piperidin-1-yl]-2-methyl-3-pyrazol-1-ylpropan-1-one
CID 72851264
1-(2-methoxyethyl)-4-[4-[1-(2-methoxyethyl)imidazol-2-yl]piperidine-1-carbonyl]pyrrolidin-2-one
CID 72846613
[(3R)-1-methylpiperidin-3-yl]-[4-[1-(pyridin-2-ylmethyl)imidazol-2-yl]piperidin-1-yl]methanone
CID 97122863
1-[4-[1-(cyclobutylmethyl)imidazol-2-yl]piperidin-1-yl]pent-3-en-1-one
CID 91940797
[4-(1-benzylimidazol-2-yl)piperidin-1-yl]-[(3R)-1-(2-methoxyethyl)pyrrolidin-3-yl]methanone
CID 97275791
(4R)-4-[4-(1-butylimidazol-2-yl)piperidine-1-carbonyl]-1-(2-methylpropyl)pyrrolidin-2-one
CID 97274448
2-ethoxy-1-[4-[4-(1-ethylimidazol-2-yl)piperidine-1-carbonyl]piperidin-1-yl]ethanone
CID 70712099

Frequently Asked Questions

What is the IUPAC name of (6S)-6-[4-[1-(cyclopropylmethyl)imidazol-2-yl]piperidine-1-carbonyl]-2-methyl-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-3-one?
The IUPAC name of (6S)-6-[4-[1-(cyclopropylmethyl)imidazol-2-yl]piperidine-1-carbonyl]-2-methyl-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-3-one (CID 97273966) is (6S)-6-[4-[1-(cyclopropylmethyl)imidazol-2-yl]piperidine-1-carbonyl]-2-methyl-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-3-one.
What is the SMILES notation for (6S)-6-[4-[1-(cyclopropylmethyl)imidazol-2-yl]piperidine-1-carbonyl]-2-methyl-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-3-one?
The canonical SMILES for (6S)-6-[4-[1-(cyclopropylmethyl)imidazol-2-yl]piperidine-1-carbonyl]-2-methyl-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-3-one is Cn1nc2n(c1=O)C[C@@H](C(=O)N1CCC(c3nccn3CC3CC3)CC1)CC2.
What is the InChIKey of (6S)-6-[4-[1-(cyclopropylmethyl)imidazol-2-yl]piperidine-1-carbonyl]-2-methyl-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-3-one?
The InChIKey is DJRVUPCFSCUSRX-INIZCTEOSA-N. The full InChI is InChI=1S/C20H28N6O2/c1-23-20(28)26-13-16(4-5-17(26)22-23)19(27)24-9-6-15(7-10-24)18-21-8-11-25(18)12-14-2-3-14/h8,11,14-16H,2-7,9-10,12-13H2,1H3/t16-/m0/s1.
What are the key properties of (6S)-6-[4-[1-(cyclopropylmethyl)imidazol-2-yl]piperidine-1-carbonyl]-2-methyl-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-3-one?
(6S)-6-[4-[1-(cyclopropylmethyl)imidazol-2-yl]piperidine-1-carbonyl]-2-methyl-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-3-one has a molecular weight of 384.48 g/mol, XLogP of 1.16, 4 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for (6S)-6-[4-[1-(cyclopropylmethyl)imidazol-2-yl]piperidine-1-carbonyl]-2-methyl-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-3-one is sourced from PubChem (CID 97273966), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).